5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C22H22N8O — CID 59471763

IUPAC5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCN1CCN(c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cn2)CC1
InChIInChI=1S/C22H22N8O/c1-29-9-11-30(12-10-29)18-8-7-16(13-24-18)17-14-25-20(23)19(26-17)22-28-27-21(31-22)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H2,23,25)
InChIKeyHNGIMXDPGLGBQL-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.59
Rot. Bonds4

About 5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 59471763) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
PubChem CID59471763
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCN1CCN(c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cn2)CC1
InChIInChI=1S/C22H22N8O/c1-29-9-11-30(12-10-29)18-8-7-16(13-24-18)17-14-25-20(23)19(26-17)22-28-27-21(31-22)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H2,23,25)
InChIKeyHNGIMXDPGLGBQL-UHFFFAOYSA-N
XLogP2.59
TPSA110.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 59471763) is 5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is CN1CCN(c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cn2)CC1.
What is the InChIKey of 5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The InChIKey is HNGIMXDPGLGBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-29-9-11-30(12-10-29)18-8-7-16(13-24-18)17-14-25-20(23)19(26-17)22-28-27-21(31-22)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H2,23,25).
What are the key properties of 5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 414.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 59471763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).